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4-Thiatricyclo[4.3.1.13,8]undecane, 4,4-dioxide
SpectraBase Compound ID 2usiOC20vPz
InChI InChI=1S/C10H16O2S/c11-13(12)6-9-2-7-1-8(3-9)5-10(13)4-7/h7-10H,1-6H2/t7-,8+,9-,10-
InChIKey GFSJPXHTCAHRFS-CHIWXEEVSA-N
Mol Weight 200.3 g/mol
Molecular Formula C10H16O2S
Exact Mass 200.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GiXlBPadas
Name 4-Thiatricyclo[4.3.1.13,8]undecane, 4,4-dioxide
Alternate Name(s) 4-Thiahomoadamantane 4,4-dioxide
CAS Registry Number 87114-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O2S
InChI InChI=1S/C10H16O2S/c11-13(12)6-9-2-7-1-8(3-9)5-10(13)4-7/h7-10H,1-6H2/t7-,8+,9-,10-
InChIKey GFSJPXHTCAHRFS-CHIWXEEVSA-N
Molecular Weight 200.296 g/mol
SMILES [C@]12(S(C[C@]3(C[C@](C2)(C[C@@](C3)(C1)[H])[H])[H])(=O)=O)[H]
SPLASH splash10-000l-9600000000-c06789733154199a3242
Source of Spectrum J-48-4075-0
Wiley ID 1197360